3,7-Dimethyl-2,6-octadienal thiosemicarbazone
TL;DR: 3,7-Dimethyl-2,6-octadienal thiosemicarbazone (CAS 2460281-94-9) is a chemical compound with molecular formula C11H19N3S and molecular weight 225.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,7-dimethylocta-2,6-dienylideneamino)thiourea
Also Known As: Citral thiosemicarbazone, NCIOpen2_006944, 3,7-Dimethyl-2,6-octadienal thiosemicarbazone, (3,7-dimethylocta-2,6-dienylideneamino)thiourea, 2,6-OCTADIENAL, 3,7-DIMETHYL-, THIOSEMICARBAZONE
| Molecular Formula | C11H19N3S |
|---|---|
| Molecular Weight | 225.13 g/mol |
| LogP | 2.4981 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.12997 |
| Heavy Atoms | 15 |
| Complexity | 286.20816 |
Chemical Identifiers
| CAS Number | 2460281-94-9 |
|---|---|
| SMILES | CC(=CCCC(=CC=NNC(=S)N)C)C |
Product Overview
3,7-Dimethyl-2,6-octadienal thiosemicarbazone (CAS 2460281-94-9), with molecular formula C11H19N3S and molecular weight 225.13 g/mol. IUPAC: (3,7-dimethylocta-2,6-dienylideneamino)thiourea.
Chemical Property Profile of 3,7-Dimethyl-2,6-octadienal thiosemicarbazone
Property Insights of 3,7-Dimethyl-2,6-octadienal thiosemicarbazone
The XLogP value of 2.4981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-2,6-octadienal thiosemicarbazone. With a topological polar surface area (TPSA) of 50.41 Ų, 3,7-Dimethyl-2,6-octadienal thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-2,6-octadienal thiosemicarbazone has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-Dimethyl-2,6-octadienal thiosemicarbazone?
The CAS number of 3,7-Dimethyl-2,6-octadienal thiosemicarbazone is 2460281-94-9.
What is the molecular formula of 3,7-Dimethyl-2,6-octadienal thiosemicarbazone?
The molecular formula of 3,7-Dimethyl-2,6-octadienal thiosemicarbazone is C11H19N3S.
What is the molecular weight of 3,7-Dimethyl-2,6-octadienal thiosemicarbazone?
The molecular weight of 3,7-Dimethyl-2,6-octadienal thiosemicarbazone is 225.13 g/mol.
Where can I buy 3,7-Dimethyl-2,6-octadienal thiosemicarbazone?
You can request a quote for 3,7-Dimethyl-2,6-octadienal thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-2,6-octadienal thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-2,6-octadienal thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.